General Information of the Compound
| Compound ID |
CP0400340
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| Compound Name |
methyl 2-[2-(7-methyl-1H-indazol-5-yl)-1-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]oxyethyl]pyridine-4-carboxylate
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| Structure |
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| Formula |
C31H32N6O5
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| Molecular Weight |
568.634
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| Canonical SMILES |
COC(=O)c1ccnc(c1)C(Cc1cc(C)c2[nH]ncc2c1)OC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O
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| InChI |
InChI=1S/C31H32N6O5/c1-19-13-20(14-23-17-33-35-28(19)23)15-27(26-16-21(7-10-32-26)29(38)41-2)42-31(40)36-11-8-24(9-12-36)37-18-22-5-3-4-6-25(22)34-30(37)39/h3-7,10,13-14,16-17,24,27H,8-9,11-12,15,18H2,1-2H3,(H,33,35)(H,34,39)
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| InChIKey |
DJXDOQWEVDTVSG-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound